USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -0.122 K(o=-1.1,f=-3.1!) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.989 K(o=-1.1,f=-3.8!) USER MOD Single : A 1 TRP N :NH3+ -144:sc= 1.15 (180deg=0.697) USER MOD Single : A 5 CYS SG : rot -25:sc= -4.11! USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= 0.043 (180deg=-0.0436) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.17 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 15 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.8) USER MOD Single : A 18 SER OG : rot 100:sc= 0.166 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.572 USER MOD Single : A 29 GLN : amide:sc= 0.0503 X(o=0.05,f=0.0047) USER MOD Single : A 34 THR OG1 : rot -30:sc= 0.337 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 47 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -45:sc= 0.235 USER MOD Single : A 60 THR OG1 : rot -20:sc= 0.444 USER MOD Single : A 67 GLN : amide:sc= 0.0757 X(o=0.076,f=0) USER MOD Single : A 68 SER OG : rot 36:sc= 0.161 USER MOD Single : A 71 MET CE :methyl -126:sc= -3.25 (180deg=-5.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.463 0.240 -0.699 1.00 0.00 N ATOM 2 CA TRP A 1 2.387 0.212 -1.849 1.00 0.00 C ATOM 3 C TRP A 1 3.829 0.019 -1.346 1.00 0.00 C ATOM 4 O TRP A 1 4.498 0.983 -0.964 1.00 0.00 O ATOM 5 CB TRP A 1 2.277 1.518 -2.692 1.00 0.00 C ATOM 6 CG TRP A 1 0.990 1.704 -3.466 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.209 1.066 -3.288 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.796 2.618 -4.553 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.120 1.519 -4.207 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.533 2.472 -4.993 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.620 3.546 -5.199 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.047 3.209 -6.048 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.106 4.280 -6.244 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.222 4.115 -6.660 1.00 0.00 C ATOM 0 H1 TRP A 1 0.570 -0.225 -0.960 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.893 -0.262 0.104 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.274 1.227 -0.430 1.00 0.00 H new ATOM 0 HA TRP A 1 2.113 -0.623 -2.494 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.401 2.370 -2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.108 1.542 -3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.407 0.317 -2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.084 1.196 -4.291 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.643 3.684 -4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.067 3.073 -6.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.737 4.995 -6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.601 4.712 -7.476 1.00 0.00 H new ATOM 27 N ARG A 2 4.284 -1.237 -1.295 1.00 0.00 N ATOM 28 CA ARG A 2 5.686 -1.559 -1.005 1.00 0.00 C ATOM 29 C ARG A 2 6.504 -1.440 -2.298 1.00 0.00 C ATOM 30 O ARG A 2 6.690 -2.419 -3.040 1.00 0.00 O ATOM 31 CB ARG A 2 5.814 -2.960 -0.364 1.00 0.00 C ATOM 32 CG ARG A 2 5.279 -3.051 1.083 1.00 0.00 C ATOM 33 CD ARG A 2 5.564 -4.419 1.718 1.00 0.00 C ATOM 34 NE ARG A 2 5.006 -5.513 0.910 1.00 0.00 N ATOM 35 CZ ARG A 2 5.402 -6.792 0.942 1.00 0.00 C ATOM 36 NH1 ARG A 2 6.374 -7.193 1.757 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.815 -7.672 0.155 1.00 0.00 N ATOM 0 H ARG A 2 3.695 -2.055 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 2 6.081 -0.850 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.278 -3.680 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.863 -3.254 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.736 -2.268 1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.204 -2.868 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.640 -4.555 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.138 -4.452 2.721 1.00 0.00 H new ATOM 0 HE ARG A 2 4.250 -5.277 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.833 -6.522 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.661 -8.172 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.066 -7.376 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.110 -8.648 0.172 1.00 0.00 H new ATOM 51 N VAL A 3 6.936 -0.203 -2.584 1.00 0.00 N ATOM 52 CA VAL A 3 7.652 0.144 -3.822 1.00 0.00 C ATOM 53 C VAL A 3 9.169 0.176 -3.555 1.00 0.00 C ATOM 54 O VAL A 3 9.605 0.548 -2.455 1.00 0.00 O ATOM 55 CB VAL A 3 7.162 1.535 -4.385 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.704 1.791 -5.805 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.615 1.646 -4.354 1.00 0.00 C ATOM 0 H VAL A 3 6.798 0.591 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 3 7.438 -0.616 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 3 7.565 2.308 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.347 2.757 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.794 1.792 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.355 1.005 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.312 2.616 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.181 0.854 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.264 1.546 -3.327 1.00 0.00 H new ATOM 67 N ARG A 4 9.959 -0.218 -4.564 1.00 0.00 N ATOM 68 CA ARG A 4 11.425 -0.291 -4.469 1.00 0.00 C ATOM 69 C ARG A 4 12.068 1.052 -4.860 1.00 0.00 C ATOM 70 O ARG A 4 11.527 1.788 -5.688 1.00 0.00 O ATOM 71 CB ARG A 4 11.954 -1.422 -5.391 1.00 0.00 C ATOM 72 CG ARG A 4 11.400 -2.818 -5.064 1.00 0.00 C ATOM 73 CD ARG A 4 11.901 -3.904 -6.018 1.00 0.00 C ATOM 74 NE ARG A 4 11.372 -5.225 -5.645 1.00 0.00 N ATOM 75 CZ ARG A 4 11.306 -6.291 -6.448 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.727 -6.239 -7.706 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.808 -7.422 -5.985 1.00 0.00 N ATOM 0 H ARG A 4 9.597 -0.497 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 4 11.695 -0.510 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.705 -1.178 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.042 -1.451 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.679 -3.083 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.311 -2.787 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.600 -3.663 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.991 -3.929 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 4 11.026 -5.337 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.112 -5.371 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.666 -7.067 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.477 -7.477 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.754 -8.241 -6.591 1.00 0.00 H new ATOM 91 N CYS A 5 13.242 1.334 -4.274 1.00 0.00 N ATOM 92 CA CYS A 5 14.045 2.536 -4.553 1.00 0.00 C ATOM 93 C CYS A 5 15.470 2.105 -4.942 1.00 0.00 C ATOM 94 O CYS A 5 16.104 1.324 -4.223 1.00 0.00 O ATOM 95 CB CYS A 5 14.075 3.454 -3.311 1.00 0.00 C ATOM 96 SG CYS A 5 14.782 2.692 -1.833 1.00 0.00 S ATOM 0 H CYS A 5 13.669 0.721 -3.579 1.00 0.00 H new ATOM 0 HA CYS A 5 13.600 3.094 -5.377 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.647 4.350 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.058 3.775 -3.088 1.00 0.00 H new ATOM 0 HG CYS A 5 14.646 1.401 -1.903 1.00 0.00 H new ATOM 102 N LYS A 6 15.953 2.612 -6.082 1.00 0.00 N ATOM 103 CA LYS A 6 17.263 2.256 -6.652 1.00 0.00 C ATOM 104 C LYS A 6 18.259 3.383 -6.357 1.00 0.00 C ATOM 105 O LYS A 6 18.129 4.484 -6.902 1.00 0.00 O ATOM 106 CB LYS A 6 17.144 2.030 -8.191 1.00 0.00 C ATOM 107 CG LYS A 6 18.460 1.617 -8.903 1.00 0.00 C ATOM 108 CD LYS A 6 18.974 0.213 -8.476 1.00 0.00 C ATOM 109 CE LYS A 6 18.032 -0.936 -8.900 1.00 0.00 C ATOM 110 NZ LYS A 6 17.922 -1.056 -10.373 1.00 0.00 N ATOM 0 H LYS A 6 15.440 3.291 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 6 17.615 1.329 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.395 1.259 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.775 2.947 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.300 1.626 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.229 2.359 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.959 0.046 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.097 0.192 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.399 -1.876 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.042 -0.767 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.931 -0.924 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.512 -0.329 -10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.246 -1.999 -10.670 1.00 0.00 H new ATOM 124 N ALA A 7 19.228 3.095 -5.489 1.00 0.00 N ATOM 125 CA ALA A 7 20.310 4.026 -5.138 1.00 0.00 C ATOM 126 C ALA A 7 21.636 3.258 -5.110 1.00 0.00 C ATOM 127 O ALA A 7 21.648 2.021 -5.186 1.00 0.00 O ATOM 128 CB ALA A 7 20.024 4.704 -3.782 1.00 0.00 C ATOM 0 H ALA A 7 19.288 2.201 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 7 20.374 4.816 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.836 5.389 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 7 19.087 5.258 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.946 3.944 -3.004 1.00 0.00 H new ATOM 170 N THR A 11 19.476 -1.167 -3.447 1.00 0.00 N ATOM 171 CA THR A 11 18.047 -1.238 -3.747 1.00 0.00 C ATOM 172 C THR A 11 17.301 -1.620 -2.458 1.00 0.00 C ATOM 173 O THR A 11 17.470 -2.731 -1.942 1.00 0.00 O ATOM 174 CB THR A 11 17.739 -2.280 -4.870 1.00 0.00 C ATOM 175 OG1 THR A 11 18.615 -2.050 -5.976 1.00 0.00 O ATOM 176 CG2 THR A 11 16.273 -2.202 -5.354 1.00 0.00 C ATOM 0 HA THR A 11 17.716 -0.266 -4.112 1.00 0.00 H new ATOM 0 HB THR A 11 17.896 -3.275 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.450 -1.651 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.107 -2.945 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.603 -2.399 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.074 -1.207 -5.752 1.00 0.00 H new ATOM 184 N HIS A 12 16.516 -0.677 -1.929 1.00 0.00 N ATOM 185 CA HIS A 12 15.754 -0.857 -0.685 1.00 0.00 C ATOM 186 C HIS A 12 14.253 -0.963 -1.007 1.00 0.00 C ATOM 187 O HIS A 12 13.815 -0.567 -2.092 1.00 0.00 O ATOM 188 CB HIS A 12 16.020 0.319 0.281 1.00 0.00 C ATOM 189 CG HIS A 12 17.455 0.477 0.731 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.426 1.085 -0.039 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.067 0.132 1.889 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.564 1.105 0.628 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.372 0.534 1.795 1.00 0.00 N ATOM 0 H HIS A 12 16.389 0.241 -2.354 1.00 0.00 H new ATOM 0 HA HIS A 12 16.076 -1.778 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.705 1.243 -0.203 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.392 0.192 1.163 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.610 -0.368 2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.496 1.521 0.274 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.082 0.410 2.516 1.00 0.00 H new ATOM 202 N LEU A 13 13.475 -1.477 -0.049 1.00 0.00 N ATOM 203 CA LEU A 13 12.030 -1.710 -0.205 1.00 0.00 C ATOM 204 C LEU A 13 11.286 -0.898 0.878 1.00 0.00 C ATOM 205 O LEU A 13 11.488 -1.126 2.078 1.00 0.00 O ATOM 206 CB LEU A 13 11.762 -3.255 -0.118 1.00 0.00 C ATOM 207 CG LEU A 13 10.335 -3.805 -0.504 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.299 -3.636 0.623 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.820 -3.180 -1.818 1.00 0.00 C ATOM 0 H LEU A 13 13.832 -1.747 0.868 1.00 0.00 H new ATOM 0 HA LEU A 13 11.660 -1.373 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.491 -3.752 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.970 -3.568 0.905 1.00 0.00 H new ATOM 0 HG LEU A 13 10.461 -4.876 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.338 -4.033 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.633 -4.177 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.192 -2.578 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.835 -3.583 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.752 -2.098 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.510 -3.417 -2.628 1.00 0.00 H new ATOM 221 N LEU A 14 10.458 0.072 0.436 1.00 0.00 N ATOM 222 CA LEU A 14 9.698 0.968 1.336 1.00 0.00 C ATOM 223 C LEU A 14 8.348 0.346 1.719 1.00 0.00 C ATOM 224 O LEU A 14 7.850 -0.559 1.053 1.00 0.00 O ATOM 225 CB LEU A 14 9.444 2.366 0.692 1.00 0.00 C ATOM 226 CG LEU A 14 10.697 3.274 0.446 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.541 2.789 -0.752 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.286 4.760 0.280 1.00 0.00 C ATOM 0 H LEU A 14 10.297 0.257 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 14 10.310 1.100 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.944 2.213 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.750 2.912 1.331 1.00 0.00 H new ATOM 0 HG LEU A 14 11.328 3.195 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.398 3.449 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.890 1.774 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.931 2.801 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.176 5.367 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.612 4.858 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.781 5.101 1.184 1.00 0.00 H new ATOM 240 N GLN A 15 7.779 0.862 2.815 1.00 0.00 N ATOM 241 CA GLN A 15 6.447 0.489 3.328 1.00 0.00 C ATOM 242 C GLN A 15 5.699 1.772 3.699 1.00 0.00 C ATOM 243 O GLN A 15 6.300 2.852 3.751 1.00 0.00 O ATOM 244 CB GLN A 15 6.540 -0.433 4.591 1.00 0.00 C ATOM 245 CG GLN A 15 7.268 -1.786 4.402 1.00 0.00 C ATOM 246 CD GLN A 15 8.797 -1.687 4.359 1.00 0.00 C ATOM 247 OE1 GLN A 15 9.406 -0.810 4.968 1.00 0.00 O ATOM 248 NE2 GLN A 15 9.426 -2.579 3.635 1.00 0.00 N ATOM 0 H GLN A 15 8.241 1.569 3.387 1.00 0.00 H new ATOM 0 HA GLN A 15 5.922 -0.068 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.047 0.120 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.528 -0.635 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.983 -2.454 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.920 -2.244 3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.898 -3.297 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.443 -2.556 3.567 1.00 0.00 H new ATOM 257 N GLY A 16 4.393 1.647 3.958 1.00 0.00 N ATOM 258 CA GLY A 16 3.574 2.768 4.432 1.00 0.00 C ATOM 259 C GLY A 16 3.230 3.784 3.352 1.00 0.00 C ATOM 260 O GLY A 16 2.782 4.893 3.668 1.00 0.00 O ATOM 0 H GLY A 16 3.877 0.774 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.649 2.376 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.103 3.276 5.239 1.00 0.00 H new ATOM 264 N LEU A 17 3.444 3.416 2.075 1.00 0.00 N ATOM 265 CA LEU A 17 3.119 4.279 0.934 1.00 0.00 C ATOM 266 C LEU A 17 1.684 4.016 0.468 1.00 0.00 C ATOM 267 O LEU A 17 1.339 2.896 0.101 1.00 0.00 O ATOM 268 CB LEU A 17 4.110 4.061 -0.240 1.00 0.00 C ATOM 269 CG LEU A 17 5.586 4.484 0.021 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.493 4.137 -1.188 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.669 5.990 0.378 1.00 0.00 C ATOM 0 H LEU A 17 3.845 2.516 1.811 1.00 0.00 H new ATOM 0 HA LEU A 17 3.207 5.315 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.098 3.004 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.743 4.613 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 17 5.955 3.916 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.517 4.445 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.467 3.062 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.134 4.660 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.709 6.265 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.274 6.582 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.083 6.184 1.276 1.00 0.00 H new ATOM 283 N SER A 18 0.862 5.055 0.544 1.00 0.00 N ATOM 284 CA SER A 18 -0.474 5.104 -0.063 1.00 0.00 C ATOM 285 C SER A 18 -0.366 5.578 -1.525 1.00 0.00 C ATOM 286 O SER A 18 0.716 5.952 -1.989 1.00 0.00 O ATOM 287 CB SER A 18 -1.367 6.073 0.755 1.00 0.00 C ATOM 288 OG SER A 18 -2.692 6.147 0.241 1.00 0.00 O ATOM 0 H SER A 18 1.107 5.912 1.041 1.00 0.00 H new ATOM 0 HA SER A 18 -0.921 4.110 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.400 5.744 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.921 7.068 0.749 1.00 0.00 H new ATOM 0 HG SER A 18 -3.284 5.581 0.779 1.00 0.00 H new ATOM 294 N SER A 19 -1.497 5.570 -2.245 1.00 0.00 N ATOM 295 CA SER A 19 -1.598 6.145 -3.596 1.00 0.00 C ATOM 296 C SER A 19 -1.490 7.687 -3.540 1.00 0.00 C ATOM 297 O SER A 19 -1.006 8.323 -4.479 1.00 0.00 O ATOM 298 CB SER A 19 -2.931 5.715 -4.236 1.00 0.00 C ATOM 299 OG SER A 19 -4.024 5.998 -3.375 1.00 0.00 O ATOM 0 H SER A 19 -2.370 5.164 -1.907 1.00 0.00 H new ATOM 0 HA SER A 19 -0.774 5.775 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.067 6.234 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.905 4.648 -4.457 1.00 0.00 H new ATOM 0 HG SER A 19 -4.859 5.718 -3.804 1.00 0.00 H new ATOM 305 N ARG A 20 -1.940 8.271 -2.407 1.00 0.00 N ATOM 306 CA ARG A 20 -1.946 9.733 -2.195 1.00 0.00 C ATOM 307 C ARG A 20 -0.931 10.172 -1.122 1.00 0.00 C ATOM 308 O ARG A 20 -1.152 11.162 -0.409 1.00 0.00 O ATOM 309 CB ARG A 20 -3.405 10.233 -1.902 1.00 0.00 C ATOM 310 CG ARG A 20 -4.270 9.408 -0.896 1.00 0.00 C ATOM 311 CD ARG A 20 -3.811 9.490 0.579 1.00 0.00 C ATOM 312 NE ARG A 20 -4.928 9.239 1.514 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.027 8.236 2.390 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.110 7.289 2.457 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.078 8.178 3.192 1.00 0.00 N ATOM 0 H ARG A 20 -2.308 7.742 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.614 10.214 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.340 11.255 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.942 10.274 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.302 9.753 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.263 8.363 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.019 8.762 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.388 10.475 0.774 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.704 9.901 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.305 7.314 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.207 6.532 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.802 8.895 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.164 7.417 3.865 1.00 0.00 H new ATOM 329 N THR A 21 0.205 9.457 -1.049 1.00 0.00 N ATOM 330 CA THR A 21 1.355 9.874 -0.225 1.00 0.00 C ATOM 331 C THR A 21 1.956 11.163 -0.815 1.00 0.00 C ATOM 332 O THR A 21 2.397 11.166 -1.969 1.00 0.00 O ATOM 333 CB THR A 21 2.455 8.766 -0.188 1.00 0.00 C ATOM 334 OG1 THR A 21 1.875 7.533 0.207 1.00 0.00 O ATOM 335 CG2 THR A 21 3.605 9.092 0.769 1.00 0.00 C ATOM 0 H THR A 21 0.352 8.583 -1.553 1.00 0.00 H new ATOM 0 HA THR A 21 1.006 10.046 0.793 1.00 0.00 H new ATOM 0 HB THR A 21 2.869 8.705 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.514 7.074 -0.580 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.336 8.283 0.749 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.083 10.021 0.460 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.216 9.204 1.781 1.00 0.00 H new ATOM 343 N ARG A 22 1.938 12.253 -0.030 1.00 0.00 N ATOM 344 CA ARG A 22 2.505 13.551 -0.449 1.00 0.00 C ATOM 345 C ARG A 22 4.035 13.457 -0.594 1.00 0.00 C ATOM 346 O ARG A 22 4.644 12.513 -0.095 1.00 0.00 O ATOM 347 CB ARG A 22 2.124 14.663 0.566 1.00 0.00 C ATOM 348 CG ARG A 22 0.605 14.851 0.751 1.00 0.00 C ATOM 349 CD ARG A 22 0.251 15.995 1.718 1.00 0.00 C ATOM 350 NE ARG A 22 0.755 15.754 3.084 1.00 0.00 N ATOM 351 CZ ARG A 22 0.902 16.693 4.027 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.688 17.972 3.758 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.291 16.348 5.239 1.00 0.00 N ATOM 0 H ARG A 22 1.534 12.263 0.906 1.00 0.00 H new ATOM 0 HA ARG A 22 2.085 13.809 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.571 14.427 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.559 15.606 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.149 15.049 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.173 13.922 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.667 16.929 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.832 16.118 1.750 1.00 0.00 H new ATOM 0 HE ARG A 22 1.011 14.798 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.406 18.256 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.805 18.673 4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.479 15.369 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.404 17.060 5.960 1.00 0.00 H new ATOM 367 N LEU A 23 4.619 14.452 -1.279 1.00 0.00 N ATOM 368 CA LEU A 23 6.085 14.601 -1.471 1.00 0.00 C ATOM 369 C LEU A 23 6.820 14.494 -0.134 1.00 0.00 C ATOM 370 O LEU A 23 7.739 13.695 0.025 1.00 0.00 O ATOM 371 CB LEU A 23 6.345 15.980 -2.156 1.00 0.00 C ATOM 372 CG LEU A 23 7.829 16.490 -2.369 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.881 17.540 -3.485 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.469 17.104 -1.091 1.00 0.00 C ATOM 0 H LEU A 23 4.082 15.195 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 23 6.466 13.801 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.868 15.950 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.823 16.737 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 23 8.404 15.604 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.908 17.879 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.521 17.100 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.251 18.388 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.485 17.431 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.877 17.958 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.494 16.354 -0.301 1.00 0.00 H new ATOM 386 N ARG A 24 6.381 15.323 0.820 1.00 0.00 N ATOM 387 CA ARG A 24 7.042 15.477 2.124 1.00 0.00 C ATOM 388 C ARG A 24 6.894 14.221 3.010 1.00 0.00 C ATOM 389 O ARG A 24 7.629 14.059 3.990 1.00 0.00 O ATOM 390 CB ARG A 24 6.520 16.776 2.797 1.00 0.00 C ATOM 391 CG ARG A 24 4.989 16.848 3.074 1.00 0.00 C ATOM 392 CD ARG A 24 4.586 16.260 4.436 1.00 0.00 C ATOM 393 NE ARG A 24 5.247 16.958 5.545 1.00 0.00 N ATOM 394 CZ ARG A 24 5.049 16.730 6.849 1.00 0.00 C ATOM 395 NH1 ARG A 24 4.189 15.809 7.271 1.00 0.00 N ATOM 396 NH2 ARG A 24 5.735 17.422 7.736 1.00 0.00 N ATOM 0 H ARG A 24 5.554 15.909 0.710 1.00 0.00 H new ATOM 0 HA ARG A 24 8.117 15.577 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.044 16.904 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.792 17.621 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.667 17.888 3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.459 16.314 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.505 16.328 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.844 15.202 4.466 1.00 0.00 H new ATOM 0 HE ARG A 24 5.920 17.684 5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.661 15.256 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.057 15.655 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.408 18.123 7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.593 17.257 8.732 1.00 0.00 H new ATOM 410 N GLU A 25 5.935 13.350 2.652 1.00 0.00 N ATOM 411 CA GLU A 25 5.747 12.032 3.282 1.00 0.00 C ATOM 412 C GLU A 25 6.697 11.002 2.617 1.00 0.00 C ATOM 413 O GLU A 25 7.386 10.237 3.299 1.00 0.00 O ATOM 414 CB GLU A 25 4.271 11.572 3.106 1.00 0.00 C ATOM 415 CG GLU A 25 3.185 12.546 3.614 1.00 0.00 C ATOM 416 CD GLU A 25 3.116 12.710 5.143 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.413 11.744 5.880 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.741 13.802 5.620 1.00 0.00 O ATOM 0 H GLU A 25 5.262 13.543 1.910 1.00 0.00 H new ATOM 0 HA GLU A 25 5.976 12.103 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.095 11.386 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.145 10.620 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.359 13.525 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.214 12.201 3.257 1.00 0.00 H new ATOM 425 N LEU A 26 6.728 11.038 1.270 1.00 0.00 N ATOM 426 CA LEU A 26 7.438 10.066 0.407 1.00 0.00 C ATOM 427 C LEU A 26 8.960 10.218 0.553 1.00 0.00 C ATOM 428 O LEU A 26 9.645 9.283 0.998 1.00 0.00 O ATOM 429 CB LEU A 26 6.939 10.269 -1.073 1.00 0.00 C ATOM 430 CG LEU A 26 7.602 9.446 -2.250 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.855 10.133 -2.831 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.882 7.979 -1.853 1.00 0.00 C ATOM 0 H LEU A 26 6.248 11.762 0.736 1.00 0.00 H new ATOM 0 HA LEU A 26 7.213 9.043 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.871 10.053 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.054 11.326 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 26 6.864 9.425 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.266 9.522 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.584 11.113 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.602 10.250 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.337 7.455 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.561 7.956 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.946 7.490 -1.584 1.00 0.00 H new ATOM 444 N GLN A 27 9.469 11.404 0.178 1.00 0.00 N ATOM 445 CA GLN A 27 10.902 11.729 0.258 1.00 0.00 C ATOM 446 C GLN A 27 11.398 11.724 1.720 1.00 0.00 C ATOM 447 O GLN A 27 12.593 11.543 1.971 1.00 0.00 O ATOM 448 CB GLN A 27 11.211 13.094 -0.423 1.00 0.00 C ATOM 449 CG GLN A 27 10.801 13.180 -1.917 1.00 0.00 C ATOM 450 CD GLN A 27 11.466 14.348 -2.662 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.952 15.463 -2.694 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.610 14.091 -3.285 1.00 0.00 N ATOM 0 H GLN A 27 8.897 12.165 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 27 11.442 10.952 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.698 13.883 0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.280 13.292 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.063 12.245 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.718 13.284 -1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.015 13.156 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.084 14.829 -3.806 1.00 0.00 H new ATOM 461 N GLY A 28 10.447 11.905 2.662 1.00 0.00 N ATOM 462 CA GLY A 28 10.719 11.809 4.097 1.00 0.00 C ATOM 463 C GLY A 28 11.108 10.398 4.523 1.00 0.00 C ATOM 464 O GLY A 28 12.002 10.218 5.358 1.00 0.00 O ATOM 0 H GLY A 28 9.475 12.121 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.522 12.499 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.835 12.123 4.653 1.00 0.00 H new ATOM 468 N GLN A 29 10.444 9.391 3.918 1.00 0.00 N ATOM 469 CA GLN A 29 10.764 7.978 4.167 1.00 0.00 C ATOM 470 C GLN A 29 12.076 7.609 3.485 1.00 0.00 C ATOM 471 O GLN A 29 12.888 6.930 4.077 1.00 0.00 O ATOM 472 CB GLN A 29 9.642 7.022 3.678 1.00 0.00 C ATOM 473 CG GLN A 29 8.305 7.159 4.429 1.00 0.00 C ATOM 474 CD GLN A 29 7.325 6.002 4.186 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.534 5.652 5.063 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.365 5.397 3.007 1.00 0.00 N ATOM 0 H GLN A 29 9.683 9.535 3.254 1.00 0.00 H new ATOM 0 HA GLN A 29 10.856 7.858 5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.467 7.202 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.993 5.994 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.507 7.231 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.828 8.093 4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.029 5.706 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.731 4.623 2.809 1.00 0.00 H new ATOM 485 N ILE A 30 12.263 8.078 2.240 1.00 0.00 N ATOM 486 CA ILE A 30 13.466 7.778 1.423 1.00 0.00 C ATOM 487 C ILE A 30 14.756 8.309 2.104 1.00 0.00 C ATOM 488 O ILE A 30 15.814 7.665 2.056 1.00 0.00 O ATOM 489 CB ILE A 30 13.315 8.381 -0.020 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.088 7.744 -0.756 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.607 8.212 -0.855 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.820 8.286 -2.143 1.00 0.00 C ATOM 0 H ILE A 30 11.588 8.677 1.765 1.00 0.00 H new ATOM 0 HA ILE A 30 13.554 6.695 1.341 1.00 0.00 H new ATOM 0 HB ILE A 30 13.139 9.451 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.245 6.668 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.198 7.896 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.459 8.642 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.431 8.722 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.842 7.152 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.952 7.783 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.626 9.357 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.689 8.109 -2.777 1.00 0.00 H new ATOM 504 N ALA A 31 14.629 9.472 2.768 1.00 0.00 N ATOM 505 CA ALA A 31 15.712 10.090 3.564 1.00 0.00 C ATOM 506 C ALA A 31 16.133 9.189 4.748 1.00 0.00 C ATOM 507 O ALA A 31 17.246 9.313 5.256 1.00 0.00 O ATOM 508 CB ALA A 31 15.274 11.483 4.051 1.00 0.00 C ATOM 0 H ALA A 31 13.766 10.016 2.769 1.00 0.00 H new ATOM 0 HA ALA A 31 16.587 10.202 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.076 11.933 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.053 12.116 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.382 11.388 4.670 1.00 0.00 H new ATOM 514 N ALA A 32 15.212 8.318 5.190 1.00 0.00 N ATOM 515 CA ALA A 32 15.450 7.335 6.267 1.00 0.00 C ATOM 516 C ALA A 32 15.866 5.952 5.698 1.00 0.00 C ATOM 517 O ALA A 32 16.712 5.260 6.275 1.00 0.00 O ATOM 518 CB ALA A 32 14.178 7.209 7.124 1.00 0.00 C ATOM 0 H ALA A 32 14.268 8.274 4.807 1.00 0.00 H new ATOM 0 HA ALA A 32 16.276 7.688 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.347 6.485 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.935 8.178 7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.350 6.875 6.499 1.00 0.00 H new ATOM 524 N ILE A 33 15.274 5.587 4.543 1.00 0.00 N ATOM 525 CA ILE A 33 15.362 4.238 3.938 1.00 0.00 C ATOM 526 C ILE A 33 16.728 4.005 3.265 1.00 0.00 C ATOM 527 O ILE A 33 17.399 3.002 3.525 1.00 0.00 O ATOM 528 CB ILE A 33 14.166 4.029 2.907 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.802 3.837 3.661 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.407 2.863 1.926 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.709 2.562 4.485 1.00 0.00 C ATOM 0 H ILE A 33 14.709 6.233 3.992 1.00 0.00 H new ATOM 0 HA ILE A 33 15.272 3.498 4.733 1.00 0.00 H new ATOM 0 HB ILE A 33 14.119 4.939 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.642 4.692 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.994 3.841 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.556 2.774 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.311 3.055 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.525 1.935 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.734 2.513 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.834 1.697 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.492 2.561 5.243 1.00 0.00 H new ATOM 543 N THR A 34 17.126 4.929 2.389 1.00 0.00 N ATOM 544 CA THR A 34 18.417 4.859 1.669 1.00 0.00 C ATOM 545 C THR A 34 19.335 6.030 2.079 1.00 0.00 C ATOM 546 O THR A 34 20.512 6.069 1.696 1.00 0.00 O ATOM 547 CB THR A 34 18.183 4.819 0.120 1.00 0.00 C ATOM 548 OG1 THR A 34 19.434 4.769 -0.591 1.00 0.00 O ATOM 549 CG2 THR A 34 17.341 6.004 -0.372 1.00 0.00 C ATOM 0 H THR A 34 16.569 5.750 2.153 1.00 0.00 H new ATOM 0 HA THR A 34 18.923 3.935 1.949 1.00 0.00 H new ATOM 0 HB THR A 34 17.622 3.908 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.123 5.237 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.207 5.932 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.367 5.986 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.851 6.937 -0.132 1.00 0.00 H new ATOM 557 N GLY A 35 18.782 6.973 2.867 1.00 0.00 N ATOM 558 CA GLY A 35 19.561 8.060 3.459 1.00 0.00 C ATOM 559 C GLY A 35 19.830 9.218 2.511 1.00 0.00 C ATOM 560 O GLY A 35 20.784 9.976 2.728 1.00 0.00 O ATOM 0 H GLY A 35 17.790 6.997 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.032 8.437 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.514 7.662 3.809 1.00 0.00 H new ATOM 564 N ILE A 36 19.009 9.361 1.444 1.00 0.00 N ATOM 565 CA ILE A 36 19.186 10.455 0.458 1.00 0.00 C ATOM 566 C ILE A 36 18.282 11.641 0.825 1.00 0.00 C ATOM 567 O ILE A 36 17.064 11.471 0.949 1.00 0.00 O ATOM 568 CB ILE A 36 18.878 9.999 -1.022 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.618 8.659 -1.370 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.240 11.115 -2.040 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.117 8.647 -1.116 1.00 0.00 C ATOM 0 H ILE A 36 18.225 8.740 1.244 1.00 0.00 H new ATOM 0 HA ILE A 36 20.235 10.750 0.497 1.00 0.00 H new ATOM 0 HB ILE A 36 17.806 9.816 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.164 7.854 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.445 8.433 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.017 10.772 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.655 12.009 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.302 11.348 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.525 7.674 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.594 9.423 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.309 8.835 -0.060 1.00 0.00 H new ATOM 583 N ALA A 37 18.899 12.834 0.975 1.00 0.00 N ATOM 584 CA ALA A 37 18.195 14.089 1.316 1.00 0.00 C ATOM 585 C ALA A 37 17.124 14.423 0.255 1.00 0.00 C ATOM 586 O ALA A 37 17.401 14.260 -0.932 1.00 0.00 O ATOM 587 CB ALA A 37 19.213 15.243 1.432 1.00 0.00 C ATOM 0 H ALA A 37 19.906 12.953 0.862 1.00 0.00 H new ATOM 0 HA ALA A 37 17.692 13.958 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.690 16.166 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.937 15.012 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.732 15.367 0.482 1.00 0.00 H new ATOM 593 N PRO A 38 15.899 14.909 0.662 1.00 0.00 N ATOM 594 CA PRO A 38 14.768 15.198 -0.273 1.00 0.00 C ATOM 595 C PRO A 38 15.117 16.214 -1.396 1.00 0.00 C ATOM 596 O PRO A 38 14.461 16.242 -2.444 1.00 0.00 O ATOM 597 CB PRO A 38 13.652 15.738 0.665 1.00 0.00 C ATOM 598 CG PRO A 38 14.364 16.176 1.909 1.00 0.00 C ATOM 599 CD PRO A 38 15.510 15.209 2.070 1.00 0.00 C ATOM 0 HA PRO A 38 14.478 14.307 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.117 16.568 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.914 14.966 0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.724 17.201 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.700 16.148 2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.334 15.650 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.206 14.309 2.605 1.00 0.00 H new ATOM 607 N GLY A 39 16.160 17.037 -1.152 1.00 0.00 N ATOM 608 CA GLY A 39 16.688 17.981 -2.151 1.00 0.00 C ATOM 609 C GLY A 39 17.950 17.468 -2.842 1.00 0.00 C ATOM 610 O GLY A 39 18.819 18.253 -3.234 1.00 0.00 O ATOM 0 H GLY A 39 16.655 17.063 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.922 18.175 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.906 18.932 -1.665 1.00 0.00 H new ATOM 614 N SER A 40 18.054 16.139 -2.962 1.00 0.00 N ATOM 615 CA SER A 40 19.155 15.441 -3.671 1.00 0.00 C ATOM 616 C SER A 40 18.559 14.324 -4.550 1.00 0.00 C ATOM 617 O SER A 40 19.058 14.021 -5.639 1.00 0.00 O ATOM 618 CB SER A 40 20.153 14.852 -2.643 1.00 0.00 C ATOM 619 OG SER A 40 20.672 15.861 -1.794 1.00 0.00 O ATOM 0 H SER A 40 17.367 15.499 -2.565 1.00 0.00 H new ATOM 0 HA SER A 40 19.693 16.146 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.654 14.090 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.971 14.359 -3.168 1.00 0.00 H new ATOM 0 HG SER A 40 21.298 15.461 -1.155 1.00 0.00 H new ATOM 625 N GLN A 41 17.494 13.704 -4.025 1.00 0.00 N ATOM 626 CA GLN A 41 16.667 12.717 -4.748 1.00 0.00 C ATOM 627 C GLN A 41 15.573 13.415 -5.571 1.00 0.00 C ATOM 628 O GLN A 41 15.016 14.430 -5.145 1.00 0.00 O ATOM 629 CB GLN A 41 16.009 11.700 -3.764 1.00 0.00 C ATOM 630 CG GLN A 41 15.529 12.324 -2.431 1.00 0.00 C ATOM 631 CD GLN A 41 14.403 11.590 -1.730 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.534 11.011 -2.373 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.396 11.630 -0.406 1.00 0.00 N ATOM 0 H GLN A 41 17.174 13.874 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 41 17.329 12.174 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.159 11.231 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 41 16.726 10.909 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.379 12.382 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.206 13.347 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.137 12.122 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.650 11.169 0.114 1.00 0.00 H new ATOM 642 N ARG A 42 15.312 12.847 -6.755 1.00 0.00 N ATOM 643 CA ARG A 42 14.185 13.203 -7.641 1.00 0.00 C ATOM 644 C ARG A 42 13.485 11.899 -8.052 1.00 0.00 C ATOM 645 O ARG A 42 14.005 10.795 -7.791 1.00 0.00 O ATOM 646 CB ARG A 42 14.696 13.988 -8.889 1.00 0.00 C ATOM 647 CG ARG A 42 15.364 15.349 -8.559 1.00 0.00 C ATOM 648 CD ARG A 42 16.213 15.912 -9.713 1.00 0.00 C ATOM 649 NE ARG A 42 15.424 16.289 -10.909 1.00 0.00 N ATOM 650 CZ ARG A 42 15.633 15.829 -12.151 1.00 0.00 C ATOM 651 NH1 ARG A 42 16.433 14.797 -12.387 1.00 0.00 N ATOM 652 NH2 ARG A 42 14.995 16.385 -13.167 1.00 0.00 N ATOM 0 H ARG A 42 15.895 12.103 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 42 13.481 13.854 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.412 13.366 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.857 14.162 -9.562 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.590 16.072 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.995 15.231 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.757 16.787 -9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.957 15.169 -10.000 1.00 0.00 H new ATOM 0 HE ARG A 42 14.660 16.952 -10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.908 14.332 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.573 14.469 -13.342 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.350 17.158 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.148 16.041 -14.115 1.00 0.00 H new ATOM 666 N ILE A 43 12.314 12.011 -8.697 1.00 0.00 N ATOM 667 CA ILE A 43 11.484 10.842 -9.028 1.00 0.00 C ATOM 668 C ILE A 43 11.768 10.392 -10.461 1.00 0.00 C ATOM 669 O ILE A 43 11.385 11.048 -11.449 1.00 0.00 O ATOM 670 CB ILE A 43 9.945 11.097 -8.819 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.635 11.391 -7.314 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.094 9.903 -9.330 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.018 10.298 -6.334 1.00 0.00 C ATOM 0 H ILE A 43 11.919 12.901 -9.000 1.00 0.00 H new ATOM 0 HA ILE A 43 11.757 10.048 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 43 9.672 11.972 -9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.153 12.307 -7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.567 11.584 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.037 10.115 -9.169 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.277 9.755 -10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.370 9.000 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.758 10.609 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.481 9.383 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.091 10.116 -6.393 1.00 0.00 H new ATOM 685 N LEU A 44 12.496 9.284 -10.533 1.00 0.00 N ATOM 686 CA LEU A 44 12.765 8.529 -11.751 1.00 0.00 C ATOM 687 C LEU A 44 12.066 7.170 -11.590 1.00 0.00 C ATOM 688 O LEU A 44 11.833 6.724 -10.457 1.00 0.00 O ATOM 689 CB LEU A 44 14.300 8.403 -11.905 1.00 0.00 C ATOM 690 CG LEU A 44 15.068 9.768 -11.828 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.567 9.584 -11.538 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.844 10.611 -13.100 1.00 0.00 C ATOM 0 H LEU A 44 12.933 8.870 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 44 12.387 9.010 -12.653 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.679 7.741 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.520 7.928 -12.861 1.00 0.00 H new ATOM 0 HG LEU A 44 14.649 10.315 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.052 10.559 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.693 9.074 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.020 8.988 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.390 11.551 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.203 10.060 -13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.780 10.819 -13.216 1.00 0.00 H new ATOM 704 N VAL A 45 11.728 6.524 -12.702 1.00 0.00 N ATOM 705 CA VAL A 45 10.803 5.364 -12.706 1.00 0.00 C ATOM 706 C VAL A 45 11.364 4.246 -13.612 1.00 0.00 C ATOM 707 O VAL A 45 12.301 4.495 -14.383 1.00 0.00 O ATOM 708 CB VAL A 45 9.373 5.855 -13.162 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.408 6.447 -14.593 1.00 0.00 C ATOM 710 CG2 VAL A 45 8.289 4.761 -13.020 1.00 0.00 C ATOM 0 H VAL A 45 12.077 6.777 -13.626 1.00 0.00 H new ATOM 0 HA VAL A 45 10.710 4.941 -11.706 1.00 0.00 H new ATOM 0 HB VAL A 45 9.087 6.655 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.408 6.775 -14.876 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.090 7.297 -14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.751 5.686 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.328 5.156 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.557 3.902 -13.635 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.217 4.453 -11.977 1.00 0.00 H new ATOM 720 N GLY A 46 10.804 3.017 -13.471 1.00 0.00 N ATOM 721 CA GLY A 46 11.236 1.832 -14.209 1.00 0.00 C ATOM 722 C GLY A 46 11.246 2.008 -15.721 1.00 0.00 C ATOM 723 O GLY A 46 12.229 1.631 -16.381 1.00 0.00 O ATOM 0 H GLY A 46 10.032 2.833 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.238 1.558 -13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.579 1.000 -13.956 1.00 0.00 H new ATOM 727 N TYR A 47 10.156 2.588 -16.272 1.00 0.00 N ATOM 728 CA TYR A 47 10.104 2.966 -17.699 1.00 0.00 C ATOM 729 C TYR A 47 10.959 4.244 -17.919 1.00 0.00 C ATOM 730 O TYR A 47 11.121 5.004 -16.962 1.00 0.00 O ATOM 731 CB TYR A 47 8.636 3.166 -18.203 1.00 0.00 C ATOM 732 CG TYR A 47 7.872 4.433 -17.718 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.996 5.660 -18.396 1.00 0.00 C ATOM 734 CD2 TYR A 47 6.999 4.398 -16.625 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.299 6.787 -17.996 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.289 5.526 -16.233 1.00 0.00 C ATOM 737 CZ TYR A 47 6.448 6.717 -16.920 1.00 0.00 C ATOM 738 OH TYR A 47 5.739 7.835 -16.534 1.00 0.00 O ATOM 0 H TYR A 47 9.305 2.803 -15.752 1.00 0.00 H new ATOM 0 HA TYR A 47 10.518 2.149 -18.290 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.655 3.182 -19.293 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.057 2.291 -17.907 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.652 5.724 -19.251 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.875 3.477 -16.076 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.424 7.718 -18.528 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.613 5.474 -15.392 1.00 0.00 H new ATOM 0 HH TYR A 47 5.017 7.571 -15.926 1.00 0.00 H new ATOM 748 N PRO A 48 11.550 4.471 -19.159 1.00 0.00 N ATOM 749 CA PRO A 48 12.326 5.704 -19.498 1.00 0.00 C ATOM 750 C PRO A 48 11.703 7.014 -18.917 1.00 0.00 C ATOM 751 O PRO A 48 10.707 7.530 -19.457 1.00 0.00 O ATOM 752 CB PRO A 48 12.301 5.693 -21.047 1.00 0.00 C ATOM 753 CG PRO A 48 12.343 4.233 -21.397 1.00 0.00 C ATOM 754 CD PRO A 48 11.550 3.519 -20.310 1.00 0.00 C ATOM 0 HA PRO A 48 13.327 5.697 -19.067 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.402 6.172 -21.436 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.153 6.229 -21.464 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.907 4.054 -22.380 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.370 3.870 -21.434 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.536 3.296 -20.641 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.013 2.570 -20.040 1.00 0.00 H new ATOM 762 N PRO A 49 12.269 7.549 -17.774 1.00 0.00 N ATOM 763 CA PRO A 49 11.663 8.668 -17.027 1.00 0.00 C ATOM 764 C PRO A 49 11.857 10.018 -17.732 1.00 0.00 C ATOM 765 O PRO A 49 12.766 10.191 -18.553 1.00 0.00 O ATOM 766 CB PRO A 49 12.402 8.630 -15.664 1.00 0.00 C ATOM 767 CG PRO A 49 13.763 8.096 -15.997 1.00 0.00 C ATOM 768 CD PRO A 49 13.548 7.105 -17.131 1.00 0.00 C ATOM 0 HA PRO A 49 10.582 8.565 -16.935 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.462 9.622 -15.216 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.886 7.988 -14.949 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.435 8.899 -16.300 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.216 7.610 -15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.377 7.125 -17.839 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.472 6.084 -16.758 1.00 0.00 H new ATOM 776 N GLU A 50 10.978 10.967 -17.397 1.00 0.00 N ATOM 777 CA GLU A 50 11.026 12.344 -17.913 1.00 0.00 C ATOM 778 C GLU A 50 11.855 13.254 -16.987 1.00 0.00 C ATOM 779 O GLU A 50 11.964 14.459 -17.240 1.00 0.00 O ATOM 780 CB GLU A 50 9.583 12.877 -18.051 1.00 0.00 C ATOM 781 CG GLU A 50 8.680 12.016 -18.957 1.00 0.00 C ATOM 782 CD GLU A 50 7.225 12.494 -18.961 1.00 0.00 C ATOM 783 OE1 GLU A 50 6.496 12.188 -17.993 1.00 0.00 O ATOM 784 OE2 GLU A 50 6.811 13.193 -19.909 1.00 0.00 O ATOM 0 H GLU A 50 10.204 10.802 -16.753 1.00 0.00 H new ATOM 0 HA GLU A 50 11.511 12.344 -18.889 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.133 12.938 -17.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.618 13.891 -18.449 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.068 12.036 -19.975 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.717 10.979 -18.622 1.00 0.00 H new ATOM 791 N CYS A 51 12.440 12.651 -15.921 1.00 0.00 N ATOM 792 CA CYS A 51 13.218 13.346 -14.888 1.00 0.00 C ATOM 793 C CYS A 51 12.403 14.500 -14.280 1.00 0.00 C ATOM 794 O CYS A 51 12.645 15.681 -14.567 1.00 0.00 O ATOM 795 CB CYS A 51 14.583 13.808 -15.450 1.00 0.00 C ATOM 796 SG CYS A 51 15.592 12.470 -16.125 1.00 0.00 S ATOM 0 H CYS A 51 12.377 11.646 -15.761 1.00 0.00 H new ATOM 0 HA CYS A 51 13.432 12.651 -14.076 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.411 14.549 -16.231 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.141 14.305 -14.657 1.00 0.00 H new ATOM 0 HG CYS A 51 16.712 12.955 -16.573 1.00 0.00 H new ATOM 802 N LEU A 52 11.383 14.127 -13.492 1.00 0.00 N ATOM 803 CA LEU A 52 10.422 15.081 -12.941 1.00 0.00 C ATOM 804 C LEU A 52 11.011 15.796 -11.709 1.00 0.00 C ATOM 805 O LEU A 52 11.480 15.149 -10.765 1.00 0.00 O ATOM 806 CB LEU A 52 9.080 14.365 -12.620 1.00 0.00 C ATOM 807 CG LEU A 52 8.354 13.703 -13.851 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.977 13.120 -13.455 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.218 14.692 -15.040 1.00 0.00 C ATOM 0 H LEU A 52 11.206 13.159 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 52 10.213 15.850 -13.685 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.269 13.593 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.402 15.088 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 52 8.982 12.876 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.506 12.672 -14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.111 12.359 -12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.342 13.917 -13.070 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.712 14.197 -15.869 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.638 15.560 -14.727 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.209 15.014 -15.360 1.00 0.00 H new ATOM 821 N ASP A 53 11.015 17.138 -11.772 1.00 0.00 N ATOM 822 CA ASP A 53 11.537 18.017 -10.716 1.00 0.00 C ATOM 823 C ASP A 53 10.406 18.361 -9.741 1.00 0.00 C ATOM 824 O ASP A 53 9.486 19.124 -10.081 1.00 0.00 O ATOM 825 CB ASP A 53 12.124 19.314 -11.333 1.00 0.00 C ATOM 826 CG ASP A 53 13.233 19.037 -12.356 1.00 0.00 C ATOM 827 OD1 ASP A 53 12.910 18.740 -13.525 1.00 0.00 O ATOM 828 OD2 ASP A 53 14.427 19.104 -11.999 1.00 0.00 O ATOM 0 H ASP A 53 10.648 17.650 -12.574 1.00 0.00 H new ATOM 0 HA ASP A 53 12.334 17.501 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.324 19.876 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.520 19.943 -10.536 1.00 0.00 H new ATOM 833 N LEU A 54 10.479 17.782 -8.540 1.00 0.00 N ATOM 834 CA LEU A 54 9.494 17.993 -7.475 1.00 0.00 C ATOM 835 C LEU A 54 9.781 19.333 -6.770 1.00 0.00 C ATOM 836 O LEU A 54 10.620 19.414 -5.866 1.00 0.00 O ATOM 837 CB LEU A 54 9.516 16.812 -6.466 1.00 0.00 C ATOM 838 CG LEU A 54 8.877 15.463 -6.930 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.661 14.822 -8.092 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.724 14.495 -5.727 1.00 0.00 C ATOM 0 H LEU A 54 11.232 17.146 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 54 8.496 18.033 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.554 16.618 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.005 17.133 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 54 7.881 15.678 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.182 13.887 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.672 15.503 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.684 14.622 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.278 13.560 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.704 14.293 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.082 14.951 -4.973 1.00 0.00 H new ATOM 852 N SER A 55 9.085 20.382 -7.219 1.00 0.00 N ATOM 853 CA SER A 55 9.272 21.761 -6.732 1.00 0.00 C ATOM 854 C SER A 55 8.075 22.177 -5.832 1.00 0.00 C ATOM 855 O SER A 55 7.784 23.361 -5.678 1.00 0.00 O ATOM 856 CB SER A 55 9.423 22.690 -7.971 1.00 0.00 C ATOM 857 OG SER A 55 9.827 23.995 -7.610 1.00 0.00 O ATOM 0 H SER A 55 8.367 20.301 -7.939 1.00 0.00 H new ATOM 0 HA SER A 55 10.169 21.840 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.153 22.262 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.474 22.739 -8.505 1.00 0.00 H new ATOM 0 HG SER A 55 9.299 24.301 -6.843 1.00 0.00 H new ATOM 863 N ASP A 56 7.412 21.178 -5.212 1.00 0.00 N ATOM 864 CA ASP A 56 6.194 21.370 -4.370 1.00 0.00 C ATOM 865 C ASP A 56 6.442 20.720 -2.974 1.00 0.00 C ATOM 866 O ASP A 56 7.603 20.589 -2.569 1.00 0.00 O ATOM 867 CB ASP A 56 4.974 20.755 -5.134 1.00 0.00 C ATOM 868 CG ASP A 56 3.612 21.236 -4.606 1.00 0.00 C ATOM 869 OD1 ASP A 56 3.243 22.399 -4.871 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.928 20.472 -3.887 1.00 0.00 O ATOM 0 H ASP A 56 7.704 20.203 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 56 5.975 22.423 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.054 21.006 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.020 19.668 -5.060 1.00 0.00 H new ATOM 875 N ARG A 57 5.379 20.355 -2.221 1.00 0.00 N ATOM 876 CA ARG A 57 5.491 19.610 -0.946 1.00 0.00 C ATOM 877 C ARG A 57 4.270 18.678 -0.729 1.00 0.00 C ATOM 878 O ARG A 57 4.394 17.610 -0.106 1.00 0.00 O ATOM 879 CB ARG A 57 5.675 20.570 0.280 1.00 0.00 C ATOM 880 CG ARG A 57 4.430 21.405 0.702 1.00 0.00 C ATOM 881 CD ARG A 57 3.959 22.416 -0.360 1.00 0.00 C ATOM 882 NE ARG A 57 4.990 23.402 -0.698 1.00 0.00 N ATOM 883 CZ ARG A 57 4.780 24.526 -1.388 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.567 24.848 -1.826 1.00 0.00 N ATOM 885 NH2 ARG A 57 5.788 25.333 -1.648 1.00 0.00 N ATOM 0 H ARG A 57 4.416 20.570 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 57 6.386 18.992 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.992 19.974 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.488 21.260 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.610 20.724 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.661 21.942 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.666 21.879 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.072 22.934 0.005 1.00 0.00 H new ATOM 0 HE ARG A 57 5.941 23.215 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.776 24.232 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.427 25.711 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.726 25.099 -1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.631 26.192 -2.175 1.00 0.00 H new ATOM 899 N ASP A 58 3.098 19.090 -1.239 1.00 0.00 N ATOM 900 CA ASP A 58 1.835 18.334 -1.102 1.00 0.00 C ATOM 901 C ASP A 58 1.593 17.397 -2.295 1.00 0.00 C ATOM 902 O ASP A 58 0.652 16.594 -2.261 1.00 0.00 O ATOM 903 CB ASP A 58 0.642 19.313 -0.960 1.00 0.00 C ATOM 904 CG ASP A 58 0.728 20.197 0.293 1.00 0.00 C ATOM 905 OD1 ASP A 58 0.708 19.651 1.414 1.00 0.00 O ATOM 906 OD2 ASP A 58 0.806 21.434 0.164 1.00 0.00 O ATOM 0 H ASP A 58 2.996 19.960 -1.761 1.00 0.00 H new ATOM 0 HA ASP A 58 1.919 17.720 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.597 19.950 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.286 18.742 -0.931 1.00 0.00 H new ATOM 911 N ILE A 59 2.426 17.523 -3.351 1.00 0.00 N ATOM 912 CA ILE A 59 2.268 16.760 -4.604 1.00 0.00 C ATOM 913 C ILE A 59 2.366 15.226 -4.336 1.00 0.00 C ATOM 914 O ILE A 59 3.349 14.742 -3.768 1.00 0.00 O ATOM 915 CB ILE A 59 3.296 17.256 -5.706 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.952 16.654 -7.105 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.763 16.961 -5.318 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.857 17.097 -8.249 1.00 0.00 C ATOM 0 H ILE A 59 3.225 18.156 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 59 1.271 16.947 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 59 3.198 18.340 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.991 15.567 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.925 16.920 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.427 17.320 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.001 17.468 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.897 15.887 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.532 16.622 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.802 18.180 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.885 16.806 -8.033 1.00 0.00 H new ATOM 930 N THR A 60 1.304 14.481 -4.698 1.00 0.00 N ATOM 931 CA THR A 60 1.138 13.069 -4.292 1.00 0.00 C ATOM 932 C THR A 60 1.703 12.081 -5.336 1.00 0.00 C ATOM 933 O THR A 60 2.088 12.474 -6.440 1.00 0.00 O ATOM 934 CB THR A 60 -0.371 12.746 -4.024 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.139 12.870 -5.236 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.969 13.664 -2.938 1.00 0.00 C ATOM 0 H THR A 60 0.542 14.836 -5.275 1.00 0.00 H new ATOM 0 HA THR A 60 1.710 12.940 -3.373 1.00 0.00 H new ATOM 0 HB THR A 60 -0.420 11.718 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.651 13.428 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.017 13.408 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.420 13.530 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.893 14.703 -3.258 1.00 0.00 H new ATOM 944 N LEU A 61 1.687 10.772 -4.978 1.00 0.00 N ATOM 945 CA LEU A 61 2.160 9.669 -5.859 1.00 0.00 C ATOM 946 C LEU A 61 1.208 9.427 -7.039 1.00 0.00 C ATOM 947 O LEU A 61 1.530 8.658 -7.942 1.00 0.00 O ATOM 948 CB LEU A 61 2.334 8.350 -5.058 1.00 0.00 C ATOM 949 CG LEU A 61 3.207 8.434 -3.774 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.497 7.030 -3.192 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.503 9.232 -4.015 1.00 0.00 C ATOM 0 H LEU A 61 1.347 10.450 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 61 3.126 9.980 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.345 7.988 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.771 7.603 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 61 2.631 8.981 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.109 7.127 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.557 6.540 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.029 6.432 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.085 9.268 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.089 8.747 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.253 10.246 -4.326 1.00 0.00 H new ATOM 963 N GLY A 62 0.013 10.044 -6.985 1.00 0.00 N ATOM 964 CA GLY A 62 -0.905 10.062 -8.124 1.00 0.00 C ATOM 965 C GLY A 62 -0.405 10.964 -9.256 1.00 0.00 C ATOM 966 O GLY A 62 -0.723 10.730 -10.425 1.00 0.00 O ATOM 0 H GLY A 62 -0.334 10.535 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.034 9.047 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.885 10.406 -7.793 1.00 0.00 H new ATOM 970 N ASP A 63 0.398 11.991 -8.899 1.00 0.00 N ATOM 971 CA ASP A 63 0.956 12.962 -9.862 1.00 0.00 C ATOM 972 C ASP A 63 2.271 12.435 -10.439 1.00 0.00 C ATOM 973 O ASP A 63 2.493 12.475 -11.649 1.00 0.00 O ATOM 974 CB ASP A 63 1.201 14.328 -9.179 1.00 0.00 C ATOM 975 CG ASP A 63 -0.064 14.906 -8.533 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.905 15.465 -9.258 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.225 14.797 -7.297 1.00 0.00 O ATOM 0 H ASP A 63 0.677 12.169 -7.934 1.00 0.00 H new ATOM 0 HA ASP A 63 0.235 13.096 -10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.973 14.215 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.582 15.034 -9.917 1.00 0.00 H new ATOM 982 N LEU A 64 3.152 11.962 -9.544 1.00 0.00 N ATOM 983 CA LEU A 64 4.438 11.357 -9.932 1.00 0.00 C ATOM 984 C LEU A 64 4.214 9.880 -10.367 1.00 0.00 C ATOM 985 O LEU A 64 3.237 9.270 -9.944 1.00 0.00 O ATOM 986 CB LEU A 64 5.473 11.457 -8.768 1.00 0.00 C ATOM 987 CG LEU A 64 5.956 12.885 -8.340 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.288 13.768 -9.569 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.962 13.568 -7.376 1.00 0.00 C ATOM 0 H LEU A 64 2.996 11.987 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 64 4.848 11.908 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.040 10.974 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.352 10.877 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 64 6.885 12.758 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.619 14.750 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.080 13.298 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.398 13.878 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.337 14.555 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.993 13.669 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.853 12.962 -6.476 1.00 0.00 H new ATOM 1001 N PRO A 65 5.102 9.282 -11.230 1.00 0.00 N ATOM 1002 CA PRO A 65 4.918 7.899 -11.764 1.00 0.00 C ATOM 1003 C PRO A 65 5.311 6.764 -10.779 1.00 0.00 C ATOM 1004 O PRO A 65 5.879 5.745 -11.194 1.00 0.00 O ATOM 1005 CB PRO A 65 5.826 7.922 -13.024 1.00 0.00 C ATOM 1006 CG PRO A 65 6.957 8.824 -12.640 1.00 0.00 C ATOM 1007 CD PRO A 65 6.329 9.915 -11.798 1.00 0.00 C ATOM 0 HA PRO A 65 3.871 7.670 -11.961 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.181 6.923 -13.278 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.291 8.301 -13.895 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.719 8.283 -12.078 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.446 9.239 -13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.005 10.249 -11.011 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.083 10.790 -12.400 1.00 0.00 H new ATOM 1015 N ILE A 66 4.964 6.914 -9.483 1.00 0.00 N ATOM 1016 CA ILE A 66 5.119 5.825 -8.497 1.00 0.00 C ATOM 1017 C ILE A 66 3.979 4.827 -8.724 1.00 0.00 C ATOM 1018 O ILE A 66 2.799 5.204 -8.710 1.00 0.00 O ATOM 1019 CB ILE A 66 5.117 6.295 -6.978 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.368 7.171 -6.613 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.035 5.072 -6.012 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.424 8.543 -7.236 1.00 0.00 C ATOM 0 H ILE A 66 4.576 7.775 -9.097 1.00 0.00 H new ATOM 0 HA ILE A 66 6.103 5.384 -8.659 1.00 0.00 H new ATOM 0 HB ILE A 66 4.230 6.916 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.402 7.285 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.265 6.625 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.035 5.423 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.118 4.516 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.895 4.422 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.331 9.053 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.429 8.450 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.553 9.119 -6.926 1.00 0.00 H new ATOM 1034 N GLN A 67 4.345 3.568 -8.976 1.00 0.00 N ATOM 1035 CA GLN A 67 3.391 2.471 -9.196 1.00 0.00 C ATOM 1036 C GLN A 67 3.602 1.412 -8.099 1.00 0.00 C ATOM 1037 O GLN A 67 4.683 1.347 -7.491 1.00 0.00 O ATOM 1038 CB GLN A 67 3.581 1.887 -10.631 1.00 0.00 C ATOM 1039 CG GLN A 67 3.690 2.968 -11.738 1.00 0.00 C ATOM 1040 CD GLN A 67 3.732 2.435 -13.180 1.00 0.00 C ATOM 1041 OE1 GLN A 67 3.267 3.096 -14.104 1.00 0.00 O ATOM 1042 NE2 GLN A 67 4.304 1.254 -13.396 1.00 0.00 N ATOM 0 H GLN A 67 5.320 3.276 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 67 2.363 2.829 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.481 1.272 -10.647 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.742 1.230 -10.860 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.842 3.646 -11.644 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.590 3.556 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.684 0.721 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.363 0.881 -14.344 1.00 0.00 H new ATOM 1051 N SER A 68 2.567 0.603 -7.835 1.00 0.00 N ATOM 1052 CA SER A 68 2.572 -0.400 -6.757 1.00 0.00 C ATOM 1053 C SER A 68 3.654 -1.486 -7.003 1.00 0.00 C ATOM 1054 O SER A 68 3.547 -2.269 -7.957 1.00 0.00 O ATOM 1055 CB SER A 68 1.157 -1.018 -6.628 1.00 0.00 C ATOM 1056 OG SER A 68 0.690 -1.509 -7.878 1.00 0.00 O ATOM 0 H SER A 68 1.696 0.625 -8.366 1.00 0.00 H new ATOM 0 HA SER A 68 2.828 0.086 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.178 -1.830 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.464 -0.268 -6.248 1.00 0.00 H new ATOM 0 HG SER A 68 1.441 -1.887 -8.382 1.00 0.00 H new ATOM 1062 N GLY A 69 4.709 -1.479 -6.153 1.00 0.00 N ATOM 1063 CA GLY A 69 5.821 -2.440 -6.248 1.00 0.00 C ATOM 1064 C GLY A 69 6.713 -2.217 -7.460 1.00 0.00 C ATOM 1065 O GLY A 69 7.280 -3.170 -8.003 1.00 0.00 O ATOM 0 H GLY A 69 4.808 -0.810 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.426 -2.374 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.415 -3.451 -6.286 1.00 0.00 H new ATOM 1069 N ASP A 70 6.828 -0.950 -7.883 1.00 0.00 N ATOM 1070 CA ASP A 70 7.600 -0.562 -9.085 1.00 0.00 C ATOM 1071 C ASP A 70 9.091 -0.384 -8.742 1.00 0.00 C ATOM 1072 O ASP A 70 9.484 -0.431 -7.567 1.00 0.00 O ATOM 1073 CB ASP A 70 7.017 0.755 -9.679 1.00 0.00 C ATOM 1074 CG ASP A 70 7.368 0.962 -11.159 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.707 0.336 -12.010 1.00 0.00 O ATOM 1076 OD2 ASP A 70 8.325 1.700 -11.482 1.00 0.00 O ATOM 0 H ASP A 70 6.391 -0.162 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 70 7.518 -1.356 -9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.933 0.747 -9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.390 1.602 -9.103 1.00 0.00 H new ATOM 1081 N MET A 71 9.909 -0.185 -9.784 1.00 0.00 N ATOM 1082 CA MET A 71 11.319 0.171 -9.644 1.00 0.00 C ATOM 1083 C MET A 71 11.468 1.683 -9.825 1.00 0.00 C ATOM 1084 O MET A 71 11.429 2.195 -10.944 1.00 0.00 O ATOM 1085 CB MET A 71 12.204 -0.582 -10.679 1.00 0.00 C ATOM 1086 CG MET A 71 13.724 -0.275 -10.619 1.00 0.00 C ATOM 1087 SD MET A 71 14.614 -1.166 -9.312 1.00 0.00 S ATOM 1088 CE MET A 71 14.253 -0.212 -7.840 1.00 0.00 C ATOM 0 H MET A 71 9.604 -0.268 -10.754 1.00 0.00 H new ATOM 0 HA MET A 71 11.657 -0.124 -8.650 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.063 -1.654 -10.538 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.843 -0.342 -11.679 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.171 -0.523 -11.581 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.861 0.796 -10.471 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.186 0.069 -7.351 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.702 0.687 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.651 -0.811 -7.157 1.00 0.00 H new ATOM 1098 N LEU A 72 11.588 2.393 -8.713 1.00 0.00 N ATOM 1099 CA LEU A 72 11.904 3.831 -8.716 1.00 0.00 C ATOM 1100 C LEU A 72 13.412 3.986 -8.636 1.00 0.00 C ATOM 1101 O LEU A 72 14.066 3.190 -7.971 1.00 0.00 O ATOM 1102 CB LEU A 72 11.240 4.548 -7.524 1.00 0.00 C ATOM 1103 CG LEU A 72 9.692 4.439 -7.446 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.172 5.048 -6.125 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.002 5.075 -8.689 1.00 0.00 C ATOM 0 H LEU A 72 11.471 1.998 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 72 11.520 4.283 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.661 4.146 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.509 5.603 -7.563 1.00 0.00 H new ATOM 0 HG LEU A 72 9.429 3.381 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.086 4.963 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.607 4.512 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.455 6.099 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.921 4.977 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.267 6.130 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.335 4.563 -9.592 1.00 0.00 H new ATOM 1117 N ILE A 73 13.970 4.982 -9.330 1.00 0.00 N ATOM 1118 CA ILE A 73 15.393 5.310 -9.238 1.00 0.00 C ATOM 1119 C ILE A 73 15.525 6.597 -8.412 1.00 0.00 C ATOM 1120 O ILE A 73 15.217 7.698 -8.886 1.00 0.00 O ATOM 1121 CB ILE A 73 16.106 5.456 -10.647 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.081 4.106 -11.473 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.570 5.972 -10.474 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.723 3.684 -12.037 1.00 0.00 C ATOM 0 H ILE A 73 13.448 5.581 -9.970 1.00 0.00 H new ATOM 0 HA ILE A 73 15.906 4.480 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 73 15.541 6.192 -11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.782 4.199 -12.302 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.449 3.305 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.041 6.065 -11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.557 6.945 -9.983 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.135 5.266 -9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.831 2.746 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.015 3.549 -11.219 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.354 4.456 -12.712 1.00 0.00 H new ATOM 1136 N VAL A 74 15.909 6.421 -7.146 1.00 0.00 N ATOM 1137 CA VAL A 74 16.253 7.518 -6.247 1.00 0.00 C ATOM 1138 C VAL A 74 17.693 7.947 -6.548 1.00 0.00 C ATOM 1139 O VAL A 74 18.652 7.225 -6.227 1.00 0.00 O ATOM 1140 CB VAL A 74 16.085 7.082 -4.741 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.718 8.100 -3.764 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.587 6.860 -4.412 1.00 0.00 C ATOM 0 H VAL A 74 15.990 5.501 -6.714 1.00 0.00 H new ATOM 0 HA VAL A 74 15.580 8.360 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 74 16.620 6.142 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.577 7.757 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.784 8.191 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.240 9.071 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.484 6.559 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.037 7.786 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.185 6.078 -5.056 1.00 0.00 H new ATOM 1152 N GLU A 75 17.834 9.105 -7.204 1.00 0.00 N ATOM 1153 CA GLU A 75 19.146 9.653 -7.531 1.00 0.00 C ATOM 1154 C GLU A 75 19.788 10.265 -6.278 1.00 0.00 C ATOM 1155 O GLU A 75 19.102 10.702 -5.349 1.00 0.00 O ATOM 1156 CB GLU A 75 19.064 10.680 -8.684 1.00 0.00 C ATOM 1157 CG GLU A 75 18.187 11.915 -8.419 1.00 0.00 C ATOM 1158 CD GLU A 75 18.241 12.918 -9.578 1.00 0.00 C ATOM 1159 OE1 GLU A 75 17.493 12.748 -10.566 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.043 13.873 -9.518 1.00 0.00 O ATOM 0 H GLU A 75 17.051 9.678 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 75 19.780 8.838 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.074 11.018 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 75 18.685 10.172 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.156 11.600 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.516 12.403 -7.502 1.00 0.00 H new ATOM 1167 N GLU A 76 21.111 10.254 -6.270 1.00 0.00 N ATOM 1168 CA GLU A 76 21.929 10.650 -5.128 1.00 0.00 C ATOM 1169 C GLU A 76 22.854 11.790 -5.556 1.00 0.00 C ATOM 1170 O GLU A 76 23.291 11.834 -6.716 1.00 0.00 O ATOM 1171 CB GLU A 76 22.728 9.407 -4.661 1.00 0.00 C ATOM 1172 CG GLU A 76 23.744 9.649 -3.533 1.00 0.00 C ATOM 1173 CD GLU A 76 24.541 8.382 -3.174 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.380 7.944 -3.998 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.323 7.806 -2.089 1.00 0.00 O ATOM 0 H GLU A 76 21.663 9.962 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 76 21.319 11.007 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.020 8.647 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.258 8.996 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.436 10.436 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.220 10.007 -2.647 1.00 0.00 H new ATOM 1182 N ASP A 77 23.150 12.710 -4.625 1.00 0.00 N ATOM 1183 CA ASP A 77 24.047 13.855 -4.882 1.00 0.00 C ATOM 1184 C ASP A 77 25.276 13.793 -3.958 1.00 0.00 C ATOM 1185 O ASP A 77 26.361 14.229 -4.347 1.00 0.00 O ATOM 1186 CB ASP A 77 23.283 15.193 -4.691 1.00 0.00 C ATOM 1187 CG ASP A 77 24.079 16.421 -5.188 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.993 16.739 -6.391 1.00 0.00 O ATOM 1189 OD2 ASP A 77 24.799 17.063 -4.395 1.00 0.00 O ATOM 0 H ASP A 77 22.778 12.685 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 77 24.393 13.802 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 22.334 15.142 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 77 23.048 15.323 -3.635 1.00 0.00 H new